[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C16H30Cl2F3N3O2 — CID 119896789

IUPAC[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCN(CC1CCN(C(=O)C2(OC)CCNCC2)C1)CC(F)(F)F.Cl.Cl
InChIInChI=1S/C16H28F3N3O2.2ClH/c1-3-21(12-16(17,18)19)10-13-4-9-22(11-13)14(23)15(24-2)5-7-20-8-6-15;;/h13,20H,3-12H2,1-2H3;2*1H
InChIKeyWBKQCRRJDLKQJG-UHFFFAOYSA-N
MW424.34 g/mol
LogP2.33
Rot. Bonds6

About [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119896789) has the molecular formula C16H30Cl2F3N3O2 and a molecular weight of 424.34 g/mol. Its IUPAC name is [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119896789
Molecular FormulaC16H30Cl2F3N3O2
Molecular Weight424.34 g/mol
Exact Mass423.17
IUPAC Name[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCN(CC1CCN(C(=O)C2(OC)CCNCC2)C1)CC(F)(F)F.Cl.Cl
InChIInChI=1S/C16H28F3N3O2.2ClH/c1-3-21(12-16(17,18)19)10-13-4-9-22(11-13)14(23)15(24-2)5-7-20-8-6-15;;/h13,20H,3-12H2,1-2H3;2*1H
InChIKeyWBKQCRRJDLKQJG-UHFFFAOYSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119896789) is [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is CCN(CC1CCN(C(=O)C2(OC)CCNCC2)C1)CC(F)(F)F.Cl.Cl.
What is the InChIKey of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is WBKQCRRJDLKQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2.2ClH/c1-3-21(12-16(17,18)19)10-13-4-9-22(11-13)14(23)15(24-2)5-7-20-8-6-15;;/h13,20H,3-12H2,1-2H3;2*1H.
What are the key properties of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 424.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119896789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).